Geometry & MOs

Info

ID:	46196
PubChem CID:	10522977
Reduced:	NSO2F3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-189.58
Dipole, Da:	5.36
IP(EA), eV:	-9.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,7-dimethyl-3-oxo-1-(phenylcarbamoyl)-2,4-dihydroquinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(=C(C1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations